SCHEMBL7568446

SCHEMBL7568446

CC(=O)Nc1ccccc1OC(=O)CCN(CC(C)C)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 15/20 0.59
ACE P12821 14/20 0.59
ACE2 Q9BYF1 7/20 0.43
CPA1 P15085 6/20 0.43
HSD17B10 Q99714 1/20 0.43
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
CTSB P07858 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7567284 0.87 MME (0.63) MMEACEACE2CPA1ITGB1
SCHEMBL7568441 0.86 MME (0.58) MMEACEACE2CPA1
SCHEMBL8450149 0.86 MME (0.43) MMEACEHSD17B10LMNARAB9A
SCHEMBL7573798 0.84 MME (0.71) MMEACEACE2CPA1ITGB1
SCHEMBL7568452 0.84 MME (0.52) MMEACEACE2CPA1HSD17B10
SCHEMBL7566049 0.83 MME (0.69) MMEACEACE2CPA1CTSB
SCHEMBL7568906 0.82 MME (0.77) MMEACEACE2CPA1
SCHEMBL7567517 0.82 MME (0.77) MMEACEACE2CPA1
SCHEMBL7567925 0.82 MME (0.77) MMEACEACE2CPA1
SCHEMBL7569387 0.82 MME (0.67) MMEACEACE2CPA1CTSB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0798291-B1 NOVEL 1,3-DIALKYLUREA DERIVATIVES SANTEN PHARMACEUTICAL CO LTD (JP) 2002-09-11 EP disclosed
US-5968980-A ENDOPEPTIDASE 24.11 INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1999-10-19 US disclosed
EP-0798291-A1 NOVEL 1,3-DIALKYLUREA DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1997-10-01 EP disclosed